Menu

#286 Z-matrix editor

v_1.2.0
open
nobody
None
9
2016-09-02
2016-09-02
Anonymous
No

Hi Avogadro developers,

Would it be possible to implement a z-matrix editor similar to that of Molden? I have seen a few posts about it on the internet, but there is no way to access the z-matrix editor (if it exists in the latest versions; it is not quite clear to me). It would be very useful to have one, in order to re-define certain groups of atoms as rigid units during an unrelaxed surface scan. Right now I create the molecule in Avogadro, then use Molden for editing the connections in the z-matrix, which can be quite awkward...

Best regards,

Marcos Verissimo Alves
Universidade Federal Fluminense - Brasil

Discussion